CID 12618774

79269-74-2

Structural Information

Molecular Formula

C₁₂H₁₄

SMILES

CC(C1=CC=CC1)C2=CC=CC2

InChI

InChI=1S/C12H14/c1-10(11-6-2-3-7-11)12-8-4-5-9-12/h2-6,8,10H,7,9H2,1H3

InChIKey

WTSRXFMJMAPCEN-UHFFFAOYSA-N

Compound name

1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 158.10954 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.11682	136.4
[M+Na]+	181.09876	143.4
[M-H]-	157.10226	143.3
[M+NH4]+	176.14336	160.5
[M+K]+	197.07270	141.2
[M+H-H2O]+	141.10680	130.6
[M+HCOO]-	203.10774	162.0
[M+CH3COO]-	217.12339	177.5
[M+Na-2H]-	179.08421	139.3
[M]+	158.10899	135.7
[M]-	158.11009	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe